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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL354663
CHEMBL354663
Compound Name
ChEMBL Synonyms 3-(4-Aminophenoxy)Aniline | 4,4'-Diaminodiphenyl Ether | 4,4'-Oxydianiline
Max Phase 0
Trade Names
Molecular Formula C12H12N2O

Additional synonyms for CHEMBL354663 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1ccc(Oc2ccc(N)cc2)cc1
Standard InChI InChI=1S/C12H12N2O/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12 ...
Download InChI
Standard InChI Key HLBLWEWZXPIGSM-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL354663

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
200.2 200.095 1.9 2 61.27 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 3 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 5.49 1.43 1.43 2 15 0.73

Structural Alerts

There are 4 structural alerts for CHEMBL354663. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HLBLWEWZXPIGSM-UHFFFAOYSA-N
PubChem SID: 144209233 SID: 144210453 SID: 17389775 SID: 26752993
Wikipedia 4,4%27-Oxydianiline

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL354663



ACToR 101-80-4
ChEBI 34384
eMolecules 491566
EPA CompTox Dashboard DTXSID0021094
FDA SRS 28DLB4Z70T
IBM Patent System 836CC6E44F2EF8A5532E26B0279E953F
KEGG Ligand C14759
Mcule MCULE-1839823867
MolPort MolPort-000-565-546
Nikkaji J38.182I
PubChem 7579
PubChem: Thomson Pharma 15092193
SureChEMBL SCHEMBL41849
ZINC ZINC00260472

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/HLBLWEWZXPIGSM-UHFFFAOYSA-N spacer
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